SCHEMBL6283077

SCHEMBL6283077

CC(C)(C)OC(=O)N1CCN(c2nc(OCc3cccc(Cl)c3)cnc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
ADORA2A P29274 1/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN11 Q06124 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ACHE P22303 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6282166 0.91 MAPK1 (0.48) MAPK1GPR119ADORA2ATLR9TLR7
SCHEMBL6287248 0.90 MAPK1 (0.47) MAPK1GPR119ADORA2ATLR9TLR7
SCHEMBL6281982 0.89 MAPK1 (0.47) MAPK1GPR119ADORA2ATLR9TLR7
SCHEMBL6278765 0.89 MAPK1 (0.47) MAPK1GPR119ADORA2ATLR9TLR7
SCHEMBL6286362 0.84 HTR2A (0.63) MAPK1GPR119ADORA2ASMN1; SMN2MAPT
SCHEMBL906152 0.79 HTR2C (0.67) HTR2AHTR2CHTR2BHRH4CHRM4
SCHEMBL6284838 0.78 CKS1B (0.52) MAPK1GPR119ADORA2ATLR9TLR7
SCHEMBL6281973 0.78 GPR119 (0.50) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6278910 0.77 CKS1B (0.50) MAPK1GPR119ADORA2ASMN1; SMN2MAPT
SCHEMBL6285188 0.77 CKS1B (0.50) MAPK1GPR119ADORA2ATLR9TLR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAPK1 3451/4885GPR119 54/4885ADORA2A 29/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A MAPK1 3195/4885GPR119 61/4885ADORA2A 33/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.